Basic information
- CAS
6420-77-5- Standard SMILES
C=CCOC(=O)c1ccc(Br)cc1- InChIKey
JGBCXOZVMIKZCR-UHFFFAOYSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.97859
Names & identifiers
- Preferred name
- Benzoic acid, 4-bromo-, 2-propenyl ester
- IUPAC
- prop-2-enyl 4-bromobenzoate
Names & synonyms
Benzoic acid, 4-bromo-, 2-propenyl ester6420-77-5DTXSID80345345RefChem:327530DTXCID30296419allyl p-bromobenzoatePROP-2-EN-1-YL 4-BROMOBENZOATEAllyl 4-bromobenzoate #SCHEMBL4433115JGBCXOZVMIKZCR-UHFFFAOYSA-NAKOS0170904104-Bromobenzoic acid, 2-propenyl ester
Database identifiers
- CAS
6420-77-5- PubChem CID
- 603889
- DTXSID
DTXSID80345345- Nikkaji
- J1.660.071G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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